The quantum chemical theoretic and experimental studies on the configuration,state of aggregation and carbocyanine molecular structure domino effect of its properties are introduced in this paper.
本文介绍了碳菁分子构型、聚集态及碳菁分子性质的结构效应的量子化理论与究情况,综了国内外碳菁分子的量子化计算方法的究进展。